5-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 5-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-(2-indolin-1-yl-2-oxo-ethyl)-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(4-fluorophenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-5-(2-indolin-1-yl-2-keto-ethyl)-6-methyl-1H-pyrimidin-4-one Formula: C22H20FN3O2S MolecularWeight: 409.476503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CC(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CC(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C22H20FN3O2S/c1-14-18(12-20(27)26-11-10-16-4-2-3-5-19(16)26)21(28)25-22(24-14)29-13-15-6-8-17(23)9-7-15/h2-9H,10-13H2,1H3,(H,24,25,28)